CAS 898756-28-0

Ethyl 3-[4-(1-azetidinylmethyl)benzoyl]benzoate

Description:

Ethyl 3-[4-(1-azetidinylmethyl)benzoyl]benzoate, identified by its CAS number 898756-28-0, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester functional group and a benzoyl moiety linked to an azetidine ring. This compound typically exhibits properties common to esters, such as being a colorless to pale yellow liquid or solid, depending on its specific formulation and purity. It is likely to be soluble in organic solvents like ethanol and dichloromethane, while being less soluble in water due to its hydrophobic aromatic components. The presence of the azetidine ring suggests potential biological activity, as such structures are often explored in medicinal chemistry for their pharmacological properties. Additionally, the compound may exhibit moderate stability under standard conditions but could be sensitive to strong acids or bases, which may lead to hydrolysis of the ester group. Overall, this compound's unique structure positions it as a candidate for further research in various chemical and pharmaceutical applications.

Formula: C₂₀H₂₁NO₃

InChI: InChI=1S/C20H21NO3/c1-2-24-20(23)18-6-3-5-17(13-18)19(22)16-9-7-15(8-10-16)14-21-11-4-12-21/h3,5-10,13H,2,4,11-12,14H2,1H3

InChI key: InChIKey=DYKWLQCFFUZJOZ-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC(C(OCC)=O)=CC=C1)C2=CC=C(CN3CCC3)C=C2

Synonyms:

• Benzoic acid, 3-[4-(1-azetidinylmethyl)benzoyl]-, ethyl ester
• Ethyl 3-[4-(1-azetidinylmethyl)benzoyl]benzoate